L894-0168 Screening compound: N-(2-chloro-4,6-dimethoxyphenyl)-1-{3-[(4-methylphenyl)sulfanyl]pyrazin-2-yl}piperidine-4-carboxamide

L894-0168 Screening compound: N-(2-chloro-4,6-dimethoxyphenyl)-1-{3-[(4-methylphenyl)sulfanyl]pyrazin-2-yl}piperidine-4-carboxamide
L894-0168 Screening compound: N-(2-chloro-4,6-dimethoxyphenyl)-1-{3-[(4-methylphenyl)sulfanyl]pyrazin-2-yl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L894-0168
N-(2-chloro-4,6-dimethoxyphenyl)-1-{3-[(4-methylphenyl)sulfanyl]pyrazin-2-yl}piperidine-4-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

L894-0168

Molecular Formula

C25H27ClN4O3S (C25 H27 ClN4 O3 S)

Compound Name

N-(2-chloro-4,6-dimethoxyphenyl)-1-{3-[(4-methylphenyl)sulfanyl]pyrazin-2-yl}piperidine-4-carboxamide

IUPAC name

N-(2-chloro-46-dimethoxyphenyl)-1-{3-[(4-methylphenyl)sulfanyl]pyrazin-2-yl}piperidine-4-carboxamide

SMILES

Cc(cc1)ccc1Sc1nccnc1N(CC1)CCC1C(Nc(c(OC)cc(OC)c1)c1Cl)=O

InChI

InChI=1S/C25H27ClN4O3S/c1-16-4-6-19(7-5-16)34-25-23(27-10-11-28-25)30-12-8-17(9-13-30)24(31)29-22-20(26)14-18(32-2)15-21(22)33-3/h4-7,10-11,14-15,17H,8-9,12-13H2,1-3H3,(H,29,31)

InChI Key

XDDCJHIEJZAUOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27484755

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.03

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.958

Distribution Coefficient, logD

4.919

Water Solubility, LogSw

-5.11

Polar Surface Area

58.449

Acid Dissociation Constant (pKa)

8.42

Base Dissociation Constant (pKb)

7.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

L894-0168 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Hemic and lymphatic
  • Cardiovascular
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L894-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L894-0168?
Check Price and Availability of L894-0168, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L894-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L894-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L894-0168
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of L894-0168 available by request